mp-695449/Ca2Ga2BiB4O14/harm

Harmonic properties

../../_images/fig_bandos_pr4840.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6724.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4840.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24649.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times8574.png

(a) Computation time